SCHEMBL8355447

SCHEMBL8355447

CC1C(CCC(=O)N2CCC(C(=O)O)CC2)OC(=O)N1N1CCN(c2ccnnc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
ADAMTS5 Q9UNA0 5/20 0.37
ITGB3 P05106 7/20 0.35
ITGA2B P08514 7/20 0.35
MAPT P10636 2/20 0.35
ADAMTS4 O75173 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HIF1A Q16665 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
AKR1C3 P42330 1/20 0.34
F10 P00742 2/20 0.33
MMP2 P08253 1/20 0.32
PKM P14618 1/20 0.32
ALOX12 P18054 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8552392 0.90 ADAMTS5 (0.35) ADAMTS5ITGB3ITGA2BMAPTADAMTS4
SCHEMBL8352452 0.77 ITGB3 (0.39) ITGB3ITGA2BL3MBTL1AKR1C3F10
SCHEMBL8356608 0.74 AKR1C3 (0.38) ITGB3ITGA2BMAPTKDM4EAKR1C3
SCHEMBL8356623 0.70 ITGB3 (0.38) ITGB3ITGA2BL3MBTL1F10
SCHEMBL8776264 0.70 ALDH1A1 (0.46) POLBADAMTS5MAPTADAMTS4KDM4E
SCHEMBL8355533 0.70 ITGB3 (0.36) ITGB3ITGA2BF10
SCHEMBL8351077 0.69 F10 (0.37) ITGB3ITGA2BF10
SCHEMBL7790314 0.69 ALDH1A1 (0.47) POLBADAMTS5ITGB3ITGA2BMAPT
SCHEMBL7790836 0.68 ITGB3 (0.46) ITGB3ITGA2BMAPTKDM4EALDH1A1
SCHEMBL8356522 0.68 NOTUM (0.38) ITGB3ITGA2BKDM4EAKR1C3F10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5972947-A ANTICOAGULANT, CARDIOVASCULAR DISORDERS, ANTIINFLAMMATORY AGENTS, OSTEOPOROSIS, ANTITUMOR AGENT ROCHE DIAGNOSTICS GMBH (DE) 1999-10-26 US disclosed
EP-0839147-A1 NEW OXAZOLIDINONE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS THAT CONTAIN THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1998-05-06 EP disclosed
WO-1997003072-A1 NEW OXAZOLIDINONE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS THAT CONTAIN THESE COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1997-01-30 WO disclosed